SCHEMBL613187

SCHEMBL613187

COC(=O)c1ccc(-c2ccncc2N)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 4/20 0.54
GAA P10253 3/20 0.54
GLA P06280 2/20 0.54
IL2 P60568 1/20 0.47
NCOA1 Q15788 2/20 0.46
NCOA3 Q9Y6Q9 2/20 0.46
HPGD P15428 2/20 0.46
CASP1 P29466 1/20 0.46
HTT P42858 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RCE1 Q9Y256 1/20 0.46
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
CYP2A6 P11509 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1724770 0.85 MKNK1 (0.56) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL16095144 0.85 CDC7 (0.49) ALDH1A1KDM4EGAAGLAIL2
SCHEMBL29165231 0.83 IL2 (0.47) ALDH1A1KDM4EGAAGLAIL2
SCHEMBL614603 0.82 IL2 (0.49) ALDH1A1KDM4EGAAGLAIL2
SCHEMBL1598790 0.80 HPGD (0.50) ALDH1A1KDM4EGAAGLANCOA1
SCHEMBL1724787 0.79 IL2 (0.47) ALDH1A1KDM4EGAAGLAIL2
SCHEMBL1725706 0.79 IL2 (0.47) ALDH1A1KDM4EGAAGLAIL2
SCHEMBL613989 0.77 KDM6B (0.49) ALDH1A1KDM4EGAAGLAIL2
SCHEMBL5238765 0.76 HDAC3 (0.66) ALDH1A1KDM4EGAAGLANCOA1
SCHEMBL1724875 0.75 KDM4C (0.51) ALDH1A1KDM4EGAAGLAIL2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040981-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-16 US disclosed
EP-2403857-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2012-01-11 EP disclosed
WO-2010101302-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120040981-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS CDC7, CDK7, DTYMK ALDH1A1 1927/4885KDM4E 1319/4885GAA 3122/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.